SCHEMBL17501649

SCHEMBL17501649

CCCCCCCCC(CCCCCCCC)C(O)CCCCCCC

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 2/20 0.60
CYP2D6 P10635 2/20 0.56
LMNA P02545 2/20 0.56
GMNN O75496 1/20 0.56
POLB P06746 1/20 0.56
THPO P40225 1/20 0.56
MTOR P42345 1/20 0.56
BLM P54132 1/20 0.56
KDM4E B2RXH2 1/20 0.56
TP53 P04637 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
MAPT P10636 1/20 0.56
CETP P11597 1/20 0.56
HTT P42858 1/20 0.56
UBE2N P61088 1/20 0.56
GPR84 Q9NQS5 7/20 0.48
FFAR1 O14842 2/20 0.48
TRPV1 Q8NER1 1/20 0.44
TRPA1 O75762 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL180470 1.00 SPHK1 (0.60) SPHK1CYP2D6LMNAGMNNPOLB
SCHEMBL27970625 1.00 SPHK1 (0.60) SPHK1CYP2D6LMNAGMNNPOLB
SCHEMBL27612145 1.00 SPHK1 (0.60) SPHK1CYP2D6LMNAGMNNPOLB
SCHEMBL29879550 1.00 SPHK1 (0.60) SPHK1CYP2D6LMNAGMNNPOLB
SCHEMBL8517654 1.00 SPHK1 (0.60) SPHK1CYP2D6LMNAGMNNPOLB
SCHEMBL3730643 1.00 SPHK1 (0.60) SPHK1CYP2D6LMNAGMNNPOLB
SCHEMBL4169780 1.00 SPHK1 (0.60) SPHK1CYP2D6LMNAGMNNPOLB
SCHEMBL751283 1.00 SPHK1 (0.60) SPHK1CYP2D6LMNAGMNNPOLB
SCHEMBL8652229 1.00 SPHK1 (0.60) SPHK1CYP2D6LMNAGMNNPOLB
SCHEMBL27243094 0.97 SPHK1 (0.58) SPHK1CYP2D6LMNAGMNNPOLB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106573886-B Method for producing cyclic alpha-ketols from cyclic alpha-ketoenols 巴斯夫欧洲公司 2020-10-30 CN disclosed
EP-3180311-B1 METHOD FOR PRODUCING ASTAXANTHIN FROM ASTACIN BASF SE (DE) 2019-04-17 EP disclosed
US-10017464-B2 Process for preparing cyclic alpha-keto alcohols from cyclic alpha-keto enols BASF SE (DE) 2018-07-10 US disclosed
US-10017465-B2 Method for producing astaxanthin from astacin BASF SE (DE) 2018-07-10 US disclosed
US-20170233338-A1 METHOD FOR PRODUCING ASTAXANTHIN FROM ASTACIN BASF SE (DE) 2017-08-17 US disclosed
US-20170217884-A1 PROCESS FOR PREPARING CYCLIC ALPHA-KETO ALCOHOLS FROM CYCLIC ALPHA-KETO ENOLS BASF SE (DE) 2017-08-03 US disclosed
EP-3180310-A1 PROCESS FOR PREPARING CYCLIC ALPHA-KETO ALCOHOLS FROM CYCLIC ALPHA-KETO ENOLS BASF SE (DE) 2017-06-21 EP disclosed
EP-3180311-A1 METHOD FOR PRODUCING ASTAXANTHIN FROM ASTACIN BASF SE (DE) 2017-06-21 EP disclosed
WO-2016023772-A1 PROCESS FOR PREPARING CYCLIC ALPHA-KETO ALCOHOLS FROM CYCLIC ALPHA-KETO ENOLS BASF SE (DE) 2016-02-18 WO disclosed
WO-2016023732-A1 METHOD FOR PRODUCING ASTAXANTHIN FROM ASTACIN BASF SE (DE) 2016-02-18 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20170233338-A1 METHOD FOR PRODUCING ASTAXANTHIN FROM ASTACIN ADH1B, ADH5, ADH7 SPHK1 620/4885CYP2D6 519/4885LMNA 2917/4885
US-10017465-B2 Method for producing astaxanthin from astacin ADH1B, ADH5, ADH7 SPHK1 620/4885CYP2D6 519/4885LMNA 2917/4885
US-20170217884-A1 PROCESS FOR PREPARING CYCLIC ALPHA-KETO ALCOHOLS FROM CYCLIC ALPHA-KETO ENOLS AKR1C3, AKR1C2, AKR1A1 SPHK1 407/4885CYP2D6 539/4885LMNA 1180/4885
US-10017464-B2 Process for preparing cyclic alpha-keto alcohols from cyclic alpha-keto enols AKR1C3, AKR1C2, AKR1A1 SPHK1 407/4885CYP2D6 539/4885LMNA 1180/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.